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Austrocorticin p-bromobenzoate [(+)-11-p-Bromobenzoyloxy-7,9-dimethoxy-3-methylanthra[2,3-c]furan-1,5,10(3H)-trione]
SpectraBase Compound ID 3PC9sfMCejd
InChI InChI=1S/2C26H17BrO8/c2*1-11-15-10-17-20(23(29)19-16(22(17)28)8-14(32-2)9-18(19)33-3)24(21(15)26(31)34-11)35-25(30)12-4-6-13(27)7-5-12/h2*4-11H,1-3H3
InChIKey IJYPRVJFLPZFBT-UHFFFAOYSA-N
Mol Weight 1074.64 g/mol
Molecular Formula C52H34Br2O16
Exact Mass 1072.021361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uv0SKTPRVB
Name AUSTROCORTICIN-P-BROMOBENZOATE;(+)-11-P-BROMOBENZOYLOXY-7,9-DIMETHOXY-3-METHYLANTHRA-[2,3-C]-FURAN-1,5,10-(3H)-TRIONE
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H34Br2O16
InChI InChI=1S/2C26H17BrO8/c2*1-11-15-10-17-20(23(29)19-16(22(17)28)8-14(32-2)9-18(19)33-3)24(21(15)26(31)34-11)35-25(30)12-4-6-13(27)7-5-12/h2*4-11H,1-3H3
InChIKey IJYPRVJFLPZFBT-UHFFFAOYSA-N
Literature Reference Author A.S.COTTERILL,M.GILL,A.GIMENEZ,N.M.MILANOVIC
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3269(1994)
Literature Reference DOI 10.1039/p19940003269
Molecular Weight 1074.640 g/mol
Solvent CDCl3
Source File Reference UWRU4363